SCHEMBL348066

SCHEMBL348066

O=C(O)c1cc2c(-c3ccc(F)cc3F)n[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
DAPK3 O43293 2/20 0.42
CHEK2 O96017 2/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
MAPK9 P45984 2/20 0.42
CSNK1D P48730 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
PLK1 P53350 2/20 0.42
DYRK1A Q13627 2/20 0.42
AURKB Q96GD4 2/20 0.42
PLK3 Q9H4B4 2/20 0.42
MAPK13 O15264 1/20 0.42
ROCK2 O75116 1/20 0.42
CSF1R P07333 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL347014 0.83 MAPK14 (0.44) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL6417097 0.76 KDM4E (0.52) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL346256 0.74 STAT3 (0.38) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL4136943 0.70 CA12 (0.49) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL4632532 0.70 P2RY14 (0.44) PIM1DAPK3CDK2DYRK1AROCK2
SCHEMBL3835960 0.70 MAP3K8 (0.39) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL27244178 0.68 DAO (0.36) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL346715 0.68 LMNA (0.44) PIM1PLK4AURKADAPK3CHEK2
SCHEMBL4631748 0.68 AURKA (0.47) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL2246560 0.67 HSD17B1 (0.60) KMOTTRLMNAKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 PIM1 4588/4885PLK4 4044/4885AURKA 4542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.